77672

Source:http://linkedlifedata.com/resource/chembl/compound/77672

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C23H33NO/c1-2-17-7-4-10-23-11-12-24(15-16-5-3-6-16)21(22(17)23)13-18-8-9-19(25)14-20(18)23/h8-9,14,16-17,21-22,25H,2-7,10-13,15H2,1H3/t17?,21?,22-,23?/m0/s1
chemicalCompound:standardIn...	CYFYRIVKNQIWBN-AKHWCJPUSA-N
chemicalCompound:canonicalS...	CCC1CCCC23CCN(CC4CCC4)C(Cc5ccc(O)cc25)[C@H]13
chemicalCompound:molecularF...	C23 H33 N O
chemicalCompound:moleculeId	77672
chemicalCompound:mwFreebase	339.514
chemicalCompound:alogp	5.433
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	23.47
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.178
chemicalCompound:acdLogP	5.728
chemicalCompound:acdLogD	4.218
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	339.514
chemicalCompound:acdMostBpk...	8.932
chemicalCompound:chemblId	CHEMBL299862
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:177672
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:881420, activity:881421